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人工晶体学报 ›› 2007, Vol. 36 ›› Issue (5): 1105-1108.

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螺旋配合物[Zn(C28H20N4O2)(CH3OH)]的合成和晶体结构

党东宾;柏(龙天);李海燕   

  1. 河南大学化学化工学院分子与晶体工程研究所,开封,475001
  • 出版日期:2007-10-15 发布日期:2021-01-20
  • 基金资助:
    教育部自然科学基金(207068);河南省自然科学基金(0611023000)

Synthesis and Crystal Structure of a Helical Complex [Zn(C28H20N4O2)(CH3OH)]

DANG Dong-bin;BAI Yan;LI Hai-yan   

  • Online:2007-10-15 Published:2021-01-20

摘要: 合成了配合物[Zn(C28H20N4O2)(CH3OH)]并对其进行了元素分析和红外光谱表征.X射线单晶结构分析表明该配合物为一单螺旋结构,Zn(Ⅱ)原子呈现扭曲的三角双锥配位构型.晶体中分子间存在的边对面和边对边的π…π作用、C-H…π作用以及O-H…O氢键作用使其形成三维网状结构.该晶体属于三斜晶系P(1-)空间群,晶胞参数分别为:α=0.9303(2)nm,b=1.0413(2)nm,c=1.4625(3)nm,α=96.340(10)°,β=103.160(10)°,γ=112.500(10)°,V=1.2434(4)nm3,Z=2dc=1.447g cm-3,T=293(2)K,μ=1.027mm-1,F(000)=560,R1=0.0463,wR2=0.0941[I>2K(I)].

关键词: 晶体结构;Zn(Ⅱ)螺旋配合物;光谱表征

Abstract: The complex,[Zn(C28 H20 N4 O2)(CH3 OH)]was synthesized and characterized by elemental analysis and IR spectroscopy. The single crystal structure analysis shows that the complex exhibits a single-stranded helix with the Zn (Ⅱ) atom having a distorted trigonal bipyramidal configuration.Edge-to-face and edge-to-edge π…π stacking interactions and C-H…π interactions between the aromatic rings and O-H…O hydrogen bonds lead to a three-dimensional network in the crystal structure. Crystal data for the complex: triclinic, space group P(1-)with a =0.9303(2)nm,b = 1. 0413(2) nm,c = 1. 4625 (3)nm,α=96.340(10)°,β=103.160(10)°,γ=112. 500(10)°,V = 1.2434(4)nm3,Z =2,dc=1.447g·cm-3 ,T=293(2)K,μ=1.027mm-1.F(000)=560,R1=0.0463,wR2=0.0941[I>2σ(I)].

Key words: The complex,[Zn(C28 H20 N4 O2)(CH3 OH)]was synthesized and characterized by elemental analysis and IR spectroscopy. The single crystal structure analysis shows that the complex exhibits a single-stranded helix with the Zn (Ⅱ) atom having a distorted trigonal bipyramidal configuration.Edge-to-face and edge-to-edge π…π stacking interactions and C-H…π interactions between the aromatic rings and O-H…O hydrogen bonds lead to a three-dimensional network in the crystal structure. Crystal data for the complex: triclinic, space group P(1-)with a =0.9303(2)nm,b = 1. 0413(2) nm,c = 1. 4625 (3)nm,α=96.340(10)°,β=103.160(10)°,γ=112. 500(10)°,V = 1.2434(4)nm3,Z =2,dc=1.447g·cm-3 ,T=293(2)K,μ=1.027mm-1.F(000)=560,R1=0.0463,wR2=0.0941[I>2σ(I)].

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